3-Sulfanyl-2-pentanone

Basic Information

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CAS Number

67633-97-0

Molecular Formula

C5H10OS

Molecular Weight

118.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

52°C/11mmHg

Density

0,988 g/cm3

Flash Point

49.1 ºC

Refractive Index

1.4660

SMILES

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CCC(S)C(C)=O

InChI

InChI=1S/C5H10OS/c1-3-5(7)4(2)6/h5,7H,3H2,1-2H3

InChIKey

SZECUQRKLXRGSJ-UHFFFAOYSA-N

LogP

1.2838

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

70.5

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Light Sensitive

Synonyms & References

English

3-Mercapto-2-pentanone
3-sulfanylpentan-2-one

MDL Number

MFCD02093290

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-Sulfanyl-2-pentanone (CAS: 67633-97-0)?

3-Sulfanyl-2-pentanone (CAS: 67633-97-0) is a colorless liquid with a molecular weight of 120.17 g/mol. It has a density of 1.03 g/cm³ and is soluble in ethanol and acetone but slightly soluble in water. The compound is moderately reactive, showing some susceptibility to hydrolysis under basic conditions, and is stable under normal storage conditions.

How is 3-Sulfanyl-2-pentanone (CAS: 67633-97-0) typically synthesized?

3-Sulfanyl-2-pentanone can be synthesized via the addition of sulfur dioxide to 2-pentanone in the presence of a Lewis acid catalyst such as aluminum chloride. The reaction is carried out under anhydrous conditions to improve yield and selectivity. The product is purified by distillation to obtain a high-purity compound.

What industries use 3-Sulfanyl-2-pentanone (CAS: 67633-97-0)?

3-Sulfanyl-2-pentanone (CAS: 67633-97-0) is used in various industries, including pharmaceuticals, where it serves as an intermediate in the synthesis of certain drugs. It also finds applications in the production of fragrances, dyes, and as a food additive. Additionally, it is used in the development of sensors and semiconductors.

What precautions should be taken when handling 3-Sulfanyl-2-pentanone (CAS: 67633-97-0)?

When handling 3-Sulfanyl-2-pentanone (CAS: 67633-97-0), it is essential to wear personal protective equipment (PPE), including gloves, goggles, and protective clothing. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of spillage, the area should be evacuated, and the spill should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety procedures.